Crystallography Open Database

Information card for entry 2003376

2003375 << 2003376 >> 2003377

Preview

Coordinates	2003376.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(η^6^-1,3,5-trimethylbenzene)ruthenium(II) tetrafluoroborate
Formula	C18 H24 B2 F8 Ru
Calculated formula	C18 H24 B2 F8 Ru
SMILES	[B](F)(F)(F)[F-].[cH]12[c]3(C)[Ru]456789%10%111([cH]([c]25C)[c]6([cH]34)C)[cH]1[c]9([cH]8[c]%11([cH]7[c]%101C)C)C.[B](F)(F)(F)[F-]
Title of publication	The Twinned Crystal Structure of Bis(η^6^-mesitylene)ruthenium(II) Tetrafluoroborate at 150 K
Authors of publication	Blake, A. J.; Dyson, P. J.; Gould, R. O.; Johnson, B. F. G.; Parsons, S.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	4
Pages of publication	582 - 584
a	12.636 ± 0.003 Å
b	12.636 ± 0.003 Å
c	12.636 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2017.6 ± 0.8 Å³
Cell temperature	153 ± 0.2 K
Ambient diffraction temperature	153 ± 0.2 K
Number of distinct elements	5
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0601
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for all reflections	0.182
Weighted residual factors for significantly intense reflections	0.1102
Goodness-of-fit parameter for all reflections	1.171
Goodness-of-fit parameter for significantly intense reflections	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.